/ellingham

A script to generate a Ellingham diagrams for some binary compounds

Primary LanguagePython

ellingham

A Python script to generate Ellingham diagrams from energy of formation for binary compounds.

By Levi Tegg

Description

Ellingham diagrams plot the standard free energy of formation, \DeltaGfo, as a function of temperature. For a description of the uses, I recommend Free Energy of Formation of Binary Componds: An Atlas of Charts for High-Templerature Chemical Calculations by Thomas B. Reed, published 1971 by MIT Press, Cambridge, Massachusetts.

The data in the chart has been obtained from the resources above, as well as Thermodynamics of Binary Metallic Carbides: A Review by R. G. Coltters in 1985, in Materials Science Engineering 76, pages 1-50.

Requirements

The script was written for Python 3.5, but with minor adjustments it should work for Python 2.x. It uses the numpy and matplotlib libraries.

The .pdf and the .png can be downloaded and used as-is.

Issues and Feedback

Any compound can be added to the diagrams if you know the start and end co-ordinate of the \DeltaGfo(T) line.

In this instance, I have elected to embed the raw data in the script, rather than include it in a separate file. This is because the project started off small, then grew as I felt that more compounds should be added. In retrospect, this was unwise.